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Title: Materials Data on CuAgF3 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1317329· OSTI ID:1317329

AgCuF3 is Orthorhombic Perovskite-like structured and crystallizes in the trigonal R3c space group. The structure is three-dimensional. Ag1+ is bonded in a 3-coordinate geometry to nine equivalent F1- atoms. There are a spread of Ag–F bond distances ranging from 2.45–2.87 Å. Cu2+ is bonded to six equivalent F1- atoms to form corner-sharing CuF6 octahedra. The corner-sharing octahedral tilt angles are 22°. All Cu–F bond lengths are 2.04 Å. F1- is bonded in a 5-coordinate geometry to three equivalent Ag1+ and two equivalent Cu2+ atoms.

Research Organization:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
Sponsoring Organization:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
Contributing Organization:
MIT; UC Berkeley; Duke; U Louvain
DOE Contract Number:
AC02-05CH11231; EDCBEE
OSTI ID:
1317329
Report Number(s):
mp-998422
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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